Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRYARHASRYSLFTLAVSAALLPGAGWAANGDLAGARKPPSVACSWNREAALSYEERRLDTPLPFSGANVVTHDQTPLAERIVKGAGFDGFEPAFAKRLCAADGRTPVTSYAKALKLVTEEGRALWRAAVDRAQGRRAIPAGALPASDDRMLYWTRLYMTRTLRQWAPSFHLGKAQAQALQWRFERASRGQLDIDLPRRYAADGSRYRRMIISGFDVFTLGTPGTANTGLRNGNPSGATALALDGREFRLADGSLLRIEAYLLPVSYDPFNRGMQEDTLGPWFRPGPRRVDASITISQGGANQFWLEAWNGRFHGSSAGNDGIVYCPADSALPNYVLPLGSVTNPGTAPISLRGSGCNINPPRRWLGYDSASRWRQNLPAQFSKASLPVRQLLAADTWRGIERPPGATSQAAEGFDVTWHTNYDFFPDCANPRTENVPTNGVMNAMPDPSLVLPPNRRICARNGGGGDYLSNESAYRNTVLRDAFRLEIPAGHIHVPVMNNYYTGVPASGGGARNDNAISDARYEAYRSAIVAQTRALLVGVGNALAQGAQAD |
2QNO Chain:A ((51-78)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VTTSQAMSYYMWLEAMHGRFSGDFTGFDKSWSVTEQYLIPTEKDQPNTSMSRYDANKPATYAPEFQDPSKYPSPLDTSQPVGRDPINSQLTSAYGTSMLYGMHWILDVDNWYGFGARADGTSKPSYINTFQRGEQESTWETIPQPCWDEHKFGGQYGFLDLFTKDTGTPAKQFKYTNAPDADARAVQATYWADQWAKEQGKSVSTSVGKATKMGDYLRYSFFDKYFRKIGQPSQAGTGYDAAHYLLSWYYAWGGGIDSTW |
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General information:
TITO was launched using:
| RESULT:
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Template: 2QNO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 6300 for 125 contacts (50.4/contact) +
2D Compatibility (PS) -2963 + (NN) -639 + (LL) 17368
1D Compatibility (HY) -2000 + (ID) 650
Total energy: 17416.0 ( 139.33 by residue)
QMean score : -0.329
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